tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C48H86N4O12 — CID 18716422

IUPACtetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCON1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C48H86N4O12/c1-41(2)23-31(24-42(3,4)49(41)57-17)61-37(53)21-35(39(55)63-33-27-45(9,10)51(59-19)46(11,12)28-33)36(40(56)64-34-29-47(13,14)52(60-20)48(15,16)30-34)22-38(54)62-32-25-43(5,6)50(58-18)44(7,8)26-32/h31-36H,21-30H2,1-20H3
InChIKeyQTOFRPMQLLBXEJ-UHFFFAOYSA-N
MW911.23 g/mol
LogP7.50
Rot. Bonds15

About tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 18716422) has the molecular formula C48H86N4O12 and a molecular weight of 911.23 g/mol. Its IUPAC name is tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
PubChem CID18716422
Molecular FormulaC48H86N4O12
Molecular Weight911.23 g/mol
Exact Mass910.62
IUPAC Nametetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCON1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C48H86N4O12/c1-41(2)23-31(24-42(3,4)49(41)57-17)61-37(53)21-35(39(55)63-33-27-45(9,10)51(59-19)46(11,12)28-33)36(40(56)64-34-29-47(13,14)52(60-20)48(15,16)30-34)22-38(54)62-32-25-43(5,6)50(58-18)44(7,8)26-32/h31-36H,21-30H2,1-20H3
InChIKeyQTOFRPMQLLBXEJ-UHFFFAOYSA-N
XLogP7.50
TPSA155.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.23
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The IUPAC name of tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 18716422) is tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is CON1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)C(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The InChIKey is QTOFRPMQLLBXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H86N4O12/c1-41(2)23-31(24-42(3,4)49(41)57-17)61-37(53)21-35(39(55)63-33-27-45(9,10)51(59-19)46(11,12)28-33)36(40(56)64-34-29-47(13,14)52(60-20)48(15,16)30-34)22-38(54)62-32-25-43(5,6)50(58-18)44(7,8)26-32/h31-36H,21-30H2,1-20H3.
What are the key properties of tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 911.23 g/mol, XLogP of 7.50, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 18716422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).